4-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C20H23N5O — CID 155757130

IUPAC4-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H23N5O/c1-21-20(26)17-11-23-19-16(7-9-22-19)18(17)24-15-8-10-25(13-15)12-14-5-3-2-4-6-14/h2-7,9,11,15H,8,10,12-13H2,1H3,(H,21,26)(H2,22,23,24)
InChIKeyJAFCAUKMZRSPSV-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.61
Rot. Bonds5

About 4-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 155757130) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID155757130
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name4-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H23N5O/c1-21-20(26)17-11-23-19-16(7-9-22-19)18(17)24-15-8-10-25(13-15)12-14-5-3-2-4-6-14/h2-7,9,11,15H,8,10,12-13H2,1H3,(H,21,26)(H2,22,23,24)
InChIKeyJAFCAUKMZRSPSV-UHFFFAOYSA-N
XLogP2.61
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 155757130) is 4-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 4-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is JAFCAUKMZRSPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-21-20(26)17-11-23-19-16(7-9-22-19)18(17)24-15-8-10-25(13-15)12-14-5-3-2-4-6-14/h2-7,9,11,15H,8,10,12-13H2,1H3,(H,21,26)(H2,22,23,24).
What are the key properties of 4-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 155757130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).